Information card for entry 4076667

Structure parameters

• Formula: C52 H90 N2 O4 Si6 Ti2
• Calculated formula: C52 H90 N2 O4 Si6 Ti2
• Title of publication: Five-Membered Titanacyclocumulenes that Contain Linked Amido−Cyclopentadienyl Ligands
• Authors of publication: Spannenberg, Anke; Baumann, Wolfgang; Becke, Sigurd; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1512
• a: 10.382 ± 0.002 Å
• b: 11.598 ± 0.002 Å
• c: 26.65 ± 0.005 Å
• α: 90°
• β: 96.56 ± 0.03°
• γ: 90°
• Cell volume: 3187.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.1068
• Goodness-of-fit parameter for all reflections: 0.924
• Goodness-of-fit parameter for significantly intense reflections: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No